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Installation

This guide will help you install QSCI and all its dependencies.

Prerequisites

  • Python 3.9 or higher
  • pip or uv package manager
  • Git (for development installation)

Quick Installation

Using pip

pip install quri-qsci

uv add quri-qsci

Development Installation

For development or to get the latest features:

1. Clone the Repository

git clone https://github.com/QunaSys/quri-qsci.git
cd quri-qsci

2. Create Virtual Environment

uv venv
source .venv/bin/activate  # On Windows: .venv\Scripts\activate

python -m venv venv
source venv/bin/activate  # On Windows: venv\Scripts\activate

3. Install Dependencies

uv sync

pip install -e .

Dependencies

QSCI depends on the following packages:

Core Dependencies

  • quri-parts: Quantum circuit and operator manipulation
  • numpy: Numerical computations
  • scipy: Sparse matrix operations and linear algebra

Optional Dependencies

  • quri-algo: Time evolution and algorithm interfaces
  • qulacs: High-performance quantum circuit simulator
  • pyscf: Quantum chemistry calculations (for molecular examples)

Development Dependencies

  • pytest: Testing framework
  • mkdocs: Documentation generation

Verification

Verify your installation by running:

import src.qsci_algorithms as qsci
from quri_parts.core.operator import Operator, pauli_label

# Create a simple Hamiltonian
hamiltonian = Operator()
hamiltonian += Operator({pauli_label("Z0"): -1.0})
hamiltonian += Operator({pauli_label("Z1"): -1.0})

print("QSCI installation successful!")
print(f"Hamiltonian: {hamiltonian}")

Optional: Quantum Chemistry Support

For molecular examples and PySCF integration:

pip install pyscf

This enables: - Molecular Hamiltonian generation - STO-3G and other basis sets
- H2, H6 molecular examples

For Configuration Interaction calcualtions, we recommend pyCI

git clone https://github.com/theochem/pyci.git && cd pyci
make
pip install pyCI

Getting Help

If you encounter issues:

  1. Check the FAQ
  2. Search existing GitHub issues
  3. Create a new issue with:
  4. Python version
  5. Operating system
  6. Complete error message
  7. Minimal reproduction example

Next Steps

Once installed, continue to: